1ie8

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[[Image:1ie8.gif|left|200px]]<br /><applet load="1ie8" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1ie8.gif|left|200px]]
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caption="1ie8, resolution 1.52&Aring;" />
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'''Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060'''<br />
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{{Structure
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|PDB= 1ie8 |SIZE=350|CAPTION= <scene name='initialview01'>1ie8</scene>, resolution 1.52&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=KH1:5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL'>KH1</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1IE8 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=KH1:'>KH1</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IE8 OCA].
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1IE8 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IE8 OCA].
==Reference==
==Reference==
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Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands., Tocchini-Valentini G, Rochel N, Wurtz JM, Mitschler A, Moras D, Proc Natl Acad Sci U S A. 2001 May 8;98(10):5491-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11344298 11344298]
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Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands., Tocchini-Valentini G, Rochel N, Wurtz JM, Mitschler A, Moras D, Proc Natl Acad Sci U S A. 2001 May 8;98(10):5491-6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11344298 11344298]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: vdr]]
[[Category: vdr]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:10:56 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:49:12 2008''

Revision as of 09:49, 20 March 2008

Image:1ie8.gif


PDB ID 1ie8

Drag the structure with the mouse to rotate
, resolution 1.52Å
Ligands:
Coordinates: save as pdb, mmCIF, xml



Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060


Contents

Overview

The crystal structures of the ligand-binding domain (LBD) of the vitamin D receptor complexed to 1alpha,25(OH)(2)D(3) and the 20-epi analogs, MC1288 and KH1060, show that the protein conformation is identical, conferring a general character to the observation first made for retinoic acid receptor (RAR) that, for a given LBD, the agonist conformation is unique, the ligands adapting to the binding pocket. In all complexes, the A- to D-ring moieties of the ligands adopt the same conformation and form identical contacts with the protein. Differences are observed only for the 17beta-aliphatic chains that adapt their conformation to anchor the 25-hydroxyl group to His-305 and His-397. The inverted geometry of the C20 methyl group induces different paths of the aliphatic chains. The ligands exhibit a low-energy conformation for MC1288 and a more strained conformation for the two others. KH1060 compensates this energy cost by additional contacts. Based on the present data, the explanation of the superagonist effect is to be found in higher stability and longer half-life of the active complex, thereby excluding different conformations of the ligand binding domain.

Disease

Known diseases associated with this structure: Osteoporosis, involutional, 166710 (1) OMIM:[601769], Rickets, vitamin D-resistant, type IIA OMIM:[601769]

About this Structure

1IE8 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands., Tocchini-Valentini G, Rochel N, Wurtz JM, Mitschler A, Moras D, Proc Natl Acad Sci U S A. 2001 May 8;98(10):5491-6. PMID:11344298

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